REMARK Name = BDB014196 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.960 0.183 -0.347 0.00 0.00 +0.049 A ATOM 2 C LIG 1 -0.961 -0.688 -1.445 0.00 0.00 +0.067 A ATOM 3 C LIG 1 -1.890 -1.742 -1.449 0.00 0.00 +0.013 A ATOM 4 C LIG 1 -2.813 -1.890 -0.409 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -2.845 -0.981 0.657 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -1.897 0.050 0.687 0.00 0.00 +0.017 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 -0.492 2.442 -0.379 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.019 1.316 -0.257 0.00 0.00 +0.247 C ATOM 9 N LIG 1 1.327 1.044 -0.042 0.00 0.00 -0.295 N ATOM 10 C LIG 1 1.804 -0.183 0.618 0.00 0.00 +0.127 C ATOM 11 C LIG 1 3.287 -0.488 0.327 0.00 0.00 +0.125 C ATOM 12 N LIG 1 4.118 0.700 0.623 0.00 0.00 -0.312 N ATOM 13 C LIG 1 3.690 1.870 -0.183 0.00 0.00 +0.125 C ATOM 14 C LIG 1 2.218 2.204 0.112 0.00 0.00 +0.127 C BRANCH 12 15 ATOM 15 C LIG 1 5.501 0.418 0.458 0.00 0.00 +0.124 A ATOM 16 N LIG 1 6.183 0.993 -0.550 0.00 0.00 -0.211 NA ATOM 17 C LIG 1 7.492 0.682 -0.631 0.00 0.00 +0.179 A ATOM 18 C LIG 1 8.134 -0.169 0.258 0.00 0.00 +0.085 A ATOM 19 N LIG 1 9.430 -0.202 -0.182 0.00 0.00 -0.343 N ATOM 20 H LIG 1 10.189 -0.723 0.233 0.00 0.00 +0.167 HD ATOM 21 C LIG 1 9.516 0.601 -1.286 0.00 0.00 +0.199 A ATOM 22 C LIG 1 7.463 -0.766 1.314 0.00 0.00 +0.033 A ATOM 23 N LIG 1 8.360 1.148 -1.582 0.00 0.00 -0.217 NA ATOM 24 C LIG 1 6.107 -0.441 1.393 0.00 0.00 +0.046 A ENDBRANCH 12 15 ENDBRANCH 1 8 BRANCH 2 25 ATOM 25 C LIG 1 0.014 -0.528 -2.582 0.00 0.00 +0.418 C ATOM 26 F LIG 1 0.171 0.753 -3.004 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -0.353 -1.233 -3.692 0.00 0.00 -0.166 F ATOM 28 F LIG 1 1.256 -0.988 -2.262 0.00 0.00 -0.166 F ENDBRANCH 2 25 BRANCH 5 29 ATOM 29 C LIG 1 -3.852 -1.121 1.776 0.00 0.00 +0.093 C BRANCH 29 30 ATOM 30 C LIG 1 -5.283 -1.310 1.287 0.00 0.00 +0.074 A ATOM 31 C LIG 1 -6.052 -0.150 0.765 0.00 0.00 +0.011 A ATOM 32 C LIG 1 -7.351 -0.397 0.324 0.00 0.00 +0.050 A ATOM 33 C LIG 1 -8.142 0.640 -0.186 0.00 0.00 +0.014 A ATOM 34 C LIG 1 -7.628 1.933 -0.255 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -6.330 2.187 0.185 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -7.887 -1.766 0.398 0.00 0.00 +0.272 A ATOM 37 O LIG 1 -9.025 -2.030 0.025 0.00 0.00 -0.266 OA ATOM 38 N LIG 1 -7.042 -2.719 0.909 0.00 0.00 -0.242 N ATOM 39 H LIG 1 -7.398 -3.668 0.970 0.00 0.00 +0.192 HD ATOM 40 C LIG 1 -5.542 1.151 0.696 0.00 0.00 +0.010 A ATOM 41 N LIG 1 -5.771 -2.515 1.345 0.00 0.00 -0.175 NA ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 5